benzoic acid; 8-(2-pyrrolidin-1-ylethyl)naphthalene-1,3-diol; hydrochloride

Systemtic Name: benzoic acid; 8-(2-pyrrolidin-1-ylethyl)naphthalene-1,3-diol; hydrochloride Openeye Name: benzoic acid; 8-(2-pyrrolidin-1-ylethyl)naphthalene-1,3-diol; hydrochloride CAS Name: benzoic acid; 8-[2-(1-pyrrolidinyl)ethyl]naphthalene-1,3-diol; hydrochloride IUPAC Name: benzoic acid; 8-(2-pyrrolidin-1-ylethyl)naphthalene-1,3-diol; hydrochloride Traditional Name: benzoic acid; 8-(2-pyrrolidinoethyl)naphthalene-1,3-diol; hydrochloride Formula: C30H32ClNO6 MolecularWeight: 538.03118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2=CC=CC3=CC(=CC(=C32)O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

C1CCN(C1)CCC2=CC=CC3=CC(=CC(=C32)O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.Cl

InChI

InChI=1S/C16H19NO2.2C7H6O2.ClH/c18-14-10-13-5-3-4-12(16(13)15(19)11-14)6-9-17-7-1-2-8-17;2*8-7(9)6-4-2-1-3-5-6;/h3-5,10-11,18-19H,1-2,6-9H2;2*1-5H,(H,8,9);1H